5,6-dichloro-1H-indazole

HCID 412303
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Basic information

CAS
124691-76-5
Standard SMILES
Clc1cc2cn[nH]c2cc1Cl
InChIKey
MCHJBZZQBWIBOK-UHFFFAOYSA-N
Molecular formula
C7H4Cl2N2
Average molar mass
187.02 g/mol
Monoisotopic mass
185.9751535

Names & identifiers

Preferred name
5,6-dichloro-1H-indazole
IUPAC
5,6-dichloro-1H-indazole
English name
5,6-DICHLORO-1H-INDAZOLE
Molecular formula
C7H4Cl2N2
Molecular weight
187.03

Names & synonyms

5,6-dichloro-1H-indazole124691-76-55,6-DICHLOROINDAZOLE1H-Indazole, 5,6-dichloro-MFCD118781111H-INDAZOLE,5,6-DICHLORO-NSC38855SCHEMBL3590783SCHEMBL17431586DTXSID60328595MCHJBZZQBWIBOK-UHFFFAOYSA-NZEA69176
Show more names
NSC-38855AKOS022171961DS-5511PB16453SY386488DB-118219CS-0053830EN300-3220469

Database identifiers

CAS
124691-76-5
PubChem CID
412303
DTXSID
DTXSID60328595

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
204 °C · 204 °C
Boiling point
347.3 · 347.3±22.0 °C(Predicted)
Density
1.571 · 1.571±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
11.63 · 11.63±0.40(Predicted)
Appearance
Off-white to yellow Solid

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers32 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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